# SCF input for VASP
# Note that VASP uses the FIRST occurence of a keyword
# Extra input added by hand
LPLANE = .TRUE.
NCORE  = 8 
NPAR = 8
LSCALU = .FALSE.
NSIM   = 4
# End of extra input

SYSTEM = gC3N4_LNO_opt

    PREC = Normal
   ENCUT = 400.000
  IBRION = 2
     NSW = 100
    ISIF = 2
  NELMIN = 2
   EDIFF = 1.0e-06
  EDIFFG = -0.02
 VOSKOWN = 1
  NBLOCK = 1
  NWRITE = 1
    NELM = 60
    ALGO = Fast (Davidson and RMM-DIIS)
    IVDW = 11
  VDW_S6 = 1.0
  VDW_S8 = 0.722
  VDW_SR = 1.217
   ISPIN = 2
  INIWAV = 1
  ISTART = 0
  ICHARG = 2
   LWAVE = .TRUE.
  LCHARG = .TRUE.
 ADDGRID = .TRUE.
  ISMEAR = 0
   SIGMA = 0.05
   LREAL = .FALSE.
LSCALAPACK = .FALSE.
RWIGS = 1.69 1.15 0.73 0.77 0.75

# Default options for parallel
    NPAR = 128